Information card for entry 7061510

Structure parameters

• Formula: C14 H28 I N3 O
• Calculated formula: C14 H28 I N3 O
• SMILES: [I-].n1(n[n+](c(CO)c1)C)CCCCCCCCCC
• Title of publication: Single-component, metal-free, solvent-free HO-functionalized 1,2,3-triazole-based ionic liquid catalysts for efficient CO2 conversion
• Authors of publication: Arruda da Mata, Álvaro Farias; Glanzmann, Nicolas; Fazza Stroppa, Pedro Henrique; Terra Martins, Felipe; das Chagas, Rafael Pavão; da Silva, Adilson David; Milani, Jorge Luiz Sônego
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 12237 - 12243
• a: 11.2155 ± 0.0012 Å
• b: 18.933 ± 0.002 Å
• c: 22.6 ± 0.003 Å
• α: 104.219 ± 0.004°
• β: 99.501 ± 0.004°
• γ: 92.327 ± 0.004°
• Cell volume: 4571.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No